Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:75950 - (20
S
)-protopanaxadiol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
(20
S
)-protopanaxadiol
ChEBI ID
CHEBI:75950
ChEBI ASCII Name
(20S)-protopanaxadiol
Definition
A diastereomer of protopanaxadiol in which the 20-hydroxy substituent has been introduced at the
pro
-
S
position.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
KAX
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Wikipedia
License
Read full article at Wikipedia
Formula
C30H52O3
Net Charge
0
Average Mass
460.73210
Monoisotopic Mass
460.39165
InChI
InChI=1S/C30H52O3/c1-
19(2)
10-
9-
14-
30(8,33)
20-
11-
16-
29(7)
25(20)
21(31)
18-
23-
27(5)
15-
13-
24(32)
26(3,4)
22(27)
12-
17-
28(23,29)
6/h10,20-
25,31-
33H,9,11-
18H2,1-
8H3/t20-
,21+,22-
,23+,24-
,25-
,27-
,28+,29+,30-
/m0/s1
InChIKey
PYXFVCFISTUSOO-HKUCOEKDSA-N
SMILES
CC(C)
=CCC[C@]
(C)
(O)
[C@H]
1CC[C@]
2(C)
[C@@H]
1[C@H]
(O)
C[C@@H]
1[C@@]
3(C)
CC[C@H]
(O)
C(C)
(C)
[C@@H]
3CC[C@@]
21C
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
protopanaxadiol
)
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
(via
protopanaxadiol
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(20
S
)-protopanaxadiol (
CHEBI:75950
)
is a
protopanaxadiol (
CHEBI:76238
)
Incoming
(20
S
)-ginsenoside Rg3 (
CHEBI:67991
)
has functional parent
(20
S
)-protopanaxadiol (
CHEBI:75950
)
ginsenoside Mc (
CHEBI:77491
)
has functional parent
(20
S
)-protopanaxadiol (
CHEBI:75950
)
ginsenoside Mx (
CHEBI:77490
)
has functional parent
(20
S
)-protopanaxadiol (
CHEBI:75950
)
IUPAC Name
(3β,12β)-dammar-24-ene-3,12,20-triol
Synonyms
Sources
(20
S
)-protopanaxadiol
UniProt
20(S)-APPD
ChemIDplus
20-Epiprotopanaxadiol
ChemIDplus
24-dammarene-3β,12β,20
S
-triol
LIPID MAPS
dammar-24-ene-3β,12β,20-triol
SUBMITTER
dammar-24-ene-3β,12β,20
S
-triol
LIPID MAPS
Manual Xrefs
Databases
CPD-15449
MetaCyc
LMPR0106080004
LIPID MAPS
Protopanaxadiol
Wikipedia
US2010234624
Patent
WO2006001654
Patent
View more database links
Registry Numbers
Types
Sources
30636-90-9
CAS Registry Number
ChemIDplus
3086791
Reaxys Registry Number
Reaxys
Citations
Types
Sources
22039120
PubMed citation
SUBMITTER
23006538
PubMed citation
Europe PMC
23022533
PubMed citation
Europe PMC
23183919
PubMed citation
Europe PMC
23391424
PubMed citation
Europe PMC
23407364
PubMed citation
Europe PMC
23494798
PubMed citation
Europe PMC
23633038
PubMed citation
Europe PMC
23672053
PubMed citation
Europe PMC
23724657
PubMed citation
Europe PMC
23867244
PubMed citation
Europe PMC
23877070
PubMed citation
Europe PMC
24096145
PubMed citation
Europe PMC
Last Modified
05 November 2019